AMBER、GROMOS、OPLS、CHARMM最新版本的GROMACS力场包
MolMod database
force fields for low-molecular fluids, consisting of Lennard-Jones 12-6 interaction sites, point charges, point dipoles, and point quadrupoles. The vast majority of molecular models in the MolMod database are rigid models. Also some flexible models are available. All models were tested and found to be suited for representing thermodynamic properties of fluids.References to the original literature are given. The database provides a full description of the model as well as input files for the programs:
- ms2
- ls1 mardyn
- Gromacs
- LAMMPS
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